Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Gavestinel. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 1.00 |
| ▸ | MEN1 | O00255 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
| ▸ | HPGD | P15428 | 1/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 1/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | ALOX12 | P18054 | 1/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 1/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 1.00 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.82 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Gavestinel SCHEMBL1720490 | 1.00 | KDM4E (1.00) | KDM4EMEN1ALDH1A1CYP3A4MAPT | |
| SCHEMBL8344952 | 0.91 | KDM4E (0.83) | KDM4EMEN1ALDH1A1CYP3A4MAPT | |
| Gavestinel SCHEMBL1721070 | 0.90 | GPR17 (1.00) | KDM4EMEN1ALDH1A1CYP3A4MAPT | |
| Gavestinel SCHEMBL30184856 | 0.90 | GPR17 (1.00) | KDM4EMEN1ALDH1A1CYP3A4MAPT | |
| Gavestinel SCHEMBL678632 | 0.90 | GPR17 (1.00) | KDM4EMEN1ALDH1A1CYP3A4MAPT | |
| Gavestinel SCHEMBL1995817 | 0.89 | GPR17 (0.98) | KDM4EMEN1ALDH1A1CYP3A4MAPT | |
| Gavestinel SCHEMBL1995813 | 0.89 | GPR17 (0.98) | KDM4EMEN1ALDH1A1CYP3A4MAPT | |
| Gavestinel SCHEMBL1995818 | 0.89 | GPR17 (0.98) | KDM4EMEN1ALDH1A1CYP3A4MAPT | |
| SCHEMBL9341421 | 0.83 | GPR17 (0.74) | KDM4EMEN1ALDH1A1CYP3A4MAPT | |
| SCHEMBL9341007 | 0.83 | GPR17 (0.74) | KDM4EMEN1ALDH1A1CYP3A4MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5510367-A | TREATMENT OR PREVENTION OF NEUROTOXIC INJURIES SUCH AS CEREBRAL STROKE, HEMMORHAGIC STROKE, CEREBRAL ISCHEMIA, VASOSPASM, HYPOGLYCEMIA, ANAESIA, HYPOXIA, ASHYXIA, CARDIAC ARREST AND NEURODEGENERATIVE DISEASES | GLAXO SPA (IT) | 1996-04-23 | — | — | US | disclosed |
| US-5373018-A | Antagonist to excitory amino acids on N-methyl aspartic acid receptor complex, theraputically effective in treatment of central nervous system disorder | GLAXO S.P.A. (IT) | 1994-12-13 | — | — | US | disclosed |
| EP-0568136-A1 | Indole-2-carboxylic acid derivatives | GLAXO S.p.A. (IT) | 1993-11-03 | — | — | EP | disclosed |